SCHEMBL16632239

SCHEMBL16632239

COc1ccc(CCNc2cc3nc(C)c(-c4cc(NC(=O)N[C@H]5C[C@](C)(F)C5)c(F)cc4F)cc3cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.43
RAF1 P04049 5/20 0.43
BRAF P15056 5/20 0.43
KRAS P01116 3/20 0.43
MAP2K2 P36507 2/20 0.43
MAP2K1 Q02750 2/20 0.43
ARAF P10398 2/20 0.42
HDAC1 Q13547 1/20 0.38
FGFR1 P11362 12/20 0.37
FLT1 P17948 9/20 0.37
FGFR2 P21802 9/20 0.37
FGFR4 P22455 9/20 0.37
FGFR3 P22607 9/20 0.37
FLT4 P35916 9/20 0.37
PTGDR Q13258 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16632379 0.86 KDR (0.46) KDRRAF1BRAFKRASMAP2K2
SCHEMBL16632590 0.86 KDR (0.51) KDRRAF1BRAFKRASMAP2K2
SCHEMBL15289592 0.85 BRAF (0.38) KDRRAF1BRAFKRASMAP2K2
SCHEMBL15289552 0.82 BRAF (0.56) KDRRAF1BRAFKRASMAP2K2
SCHEMBL16632504 0.81 KDR (0.53) KDRRAF1BRAFKRASMAP2K2
SCHEMBL16632291 0.79 HDAC1 (0.42) KDRRAF1BRAFKRASMAP2K2
SCHEMBL15289636 0.77 BRAF (0.65) KDRRAF1BRAFKRASMAP2K2
SCHEMBL16632254 0.77 BRAF (0.65) KDRRAF1BRAFKRASMAP2K2
SCHEMBL15289708 0.77 BRAF (0.57) KDRRAF1BRAFKRASMAP2K2
Hydrochloric Acid SCHEMBL16632446 0.76 BRAF (0.56) KDRRAF1BRAFKRASMAP2K2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187474-B2 Raf inhibitor compounds DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20150105367-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC 2015-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150105367-A1 RAF INHIBITOR COMPOUNDS BRAF, RAF1, NRAS KDR 806/4885RAF1 2/4885BRAF 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.